N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide

C16H22N4O4S — CID 69104584

IUPACN-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C(c1ccc(N2CC(CN)OC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)18-15(19-8-2-3-9-19)12-4-6-13(7-5-12)20-11-14(10-17)24-16(20)21/h4-7,14H,2-3,8-11,17H2,1H3
InChIKeyCZFARSFQBNCORL-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.77
Rot. Bonds4

About N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide

N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide (PubChem CID 69104584) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide
PubChem CID69104584
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C(c1ccc(N2CC(CN)OC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)18-15(19-8-2-3-9-19)12-4-6-13(7-5-12)20-11-14(10-17)24-16(20)21/h4-7,14H,2-3,8-11,17H2,1H3
InChIKeyCZFARSFQBNCORL-UHFFFAOYSA-N
XLogP0.77
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide?
The IUPAC name of N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide (CID 69104584) is N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide.
What is the SMILES notation for N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide?
The canonical SMILES for N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide is CS(=O)(=O)N=C(c1ccc(N2CC(CN)OC2=O)cc1)N1CCCC1.
What is the InChIKey of N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide?
The InChIKey is CZFARSFQBNCORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25(22,23)18-15(19-8-2-3-9-19)12-4-6-13(7-5-12)20-11-14(10-17)24-16(20)21/h4-7,14H,2-3,8-11,17H2,1H3.
What are the key properties of N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide?
N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-pyrrolidin-1-ylmethylidene]methanesulfonamide is sourced from PubChem (CID 69104584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).